2-nonoxy-3-oxo-N-phenylbutanamide

C19H29NO3 — CID 20558460

IUPAC2-nonoxy-3-oxo-N-phenylbutanamide
SMILESCCCCCCCCCOC(C(C)=O)C(=O)Nc1ccccc1
InChIInChI=1S/C19H29NO3/c1-3-4-5-6-7-8-12-15-23-18(16(2)21)19(22)20-17-13-10-9-11-14-17/h9-11,13-14,18H,3-8,12,15H2,1-2H3,(H,20,22)
InChIKeyUMDIYXYIZVYTNT-UHFFFAOYSA-N
MW319.44 g/mol
LogP4.35
Rot. Bonds12

About 2-nonoxy-3-oxo-N-phenylbutanamide

2-nonoxy-3-oxo-N-phenylbutanamide (PubChem CID 20558460) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is 2-nonoxy-3-oxo-N-phenylbutanamide.

Molecular Properties

Compound Name2-nonoxy-3-oxo-N-phenylbutanamide
PubChem CID20558460
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name2-nonoxy-3-oxo-N-phenylbutanamide
SMILESCCCCCCCCCOC(C(C)=O)C(=O)Nc1ccccc1
InChIInChI=1S/C19H29NO3/c1-3-4-5-6-7-8-12-15-23-18(16(2)21)19(22)20-17-13-10-9-11-14-17/h9-11,13-14,18H,3-8,12,15H2,1-2H3,(H,20,22)
InChIKeyUMDIYXYIZVYTNT-UHFFFAOYSA-N
XLogP4.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-butoxy-N-phenyldodecanamide
CID 70626065
dodecyl N-phenylcarbamate
CID 521818
ethyl 2-hexadecoxy-3-oxo-3-(3-sulfamoylanilino)propanoate
CID 19816688
(1-anilino-1-oxopropan-2-yl) 4-hexoxybenzoate
CID 5078511
(1-anilino-1-oxohexan-2-yl) acetate
CID 134107020
2-(octylamino)-N-phenylpropanamide
CID 78914372
2-hexoxy-2-(5-methoxyoctan-4-ylsulfonyl)-N-phenylacetamide
CID 139793483
[(2S)-1-anilino-1-oxopropan-2-yl] dodecanoate
CID 98093239
1-pentoxy-3-phenylurea
CID 5118367
hexyl 4-(2-phenoxypropanoylamino)benzoate
CID 53265697
2,4-dihydroxy-N-phenyldodecanamide
CID 91612582
N-phenylpentacosanamide
CID 19025260

Frequently Asked Questions

What is the IUPAC name of 2-nonoxy-3-oxo-N-phenylbutanamide?
The IUPAC name of 2-nonoxy-3-oxo-N-phenylbutanamide (CID 20558460) is 2-nonoxy-3-oxo-N-phenylbutanamide.
What is the SMILES notation for 2-nonoxy-3-oxo-N-phenylbutanamide?
The canonical SMILES for 2-nonoxy-3-oxo-N-phenylbutanamide is CCCCCCCCCOC(C(C)=O)C(=O)Nc1ccccc1.
What is the InChIKey of 2-nonoxy-3-oxo-N-phenylbutanamide?
The InChIKey is UMDIYXYIZVYTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-3-4-5-6-7-8-12-15-23-18(16(2)21)19(22)20-17-13-10-9-11-14-17/h9-11,13-14,18H,3-8,12,15H2,1-2H3,(H,20,22).
What are the key properties of 2-nonoxy-3-oxo-N-phenylbutanamide?
2-nonoxy-3-oxo-N-phenylbutanamide has a molecular weight of 319.44 g/mol, XLogP of 4.35, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonoxy-3-oxo-N-phenylbutanamide is sourced from PubChem (CID 20558460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).